Text Search
Structure Search

{3-[(pyridin-4-ylsulfanyl)methyl]phenyl}methanol

{3-[(pyridin-4-ylsulfanyl)methyl]phenyl}methanol

CAS: 811801-40-8

Formula: C13H13NOS

SMILES: OCC1=CC=CC(CSC2=CC=NC=C2)=C1

IUPAC: {3-[(pyridin-4-ylsulfanyl)methyl]phenyl}methanol

InChI: InChI=1S/C13H13NOS/c15-9-11-2-1-3-12(8-11)10-16-13-4-6-14-7-5-13/h1-8,15H,9-10H2

Composition: C (67.50%), H (5.67%), N (6.06%), O (6.92%), S (13.86%)

Molar Mass: 231.31

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 231.071785217
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DHIDEDJMZMWOAM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.14
Topological Polar Surface Area 33.12
Polarizability 26.37
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 811801-40-8 $49.18-$216.89$49.18$81.97$216.89
Request Quote